Detailed information for compound 1612548

Basic information

Technical information
  • TDR Targets ID: 1612548
  • Name: NCI60_029449
  • MW: 388.411 | Formula: C21H24O7
  • H donors: 2 H acceptors: 4 LogP: 2.52 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cc2oc1C[C@H](C(=C)C)[C@@H](O)[C@H](C1=C[C@H]([C@H]2C(=C)C)OC1=O)O
  • InChi: 1S/C21H24O7/c1-9(2)11-6-14-12(20(24)26-5)7-15(27-14)17(10(3)4)16-8-13(21(25)28-16)19(23)18(11)22/h7-8,11,16-19,22-23H,1,3,6H2,2,4-5H3/t11-,16-,17+,18-,19+/m1/s1
  • InChiKey: IFMBCRRGRMZJDX-ZMKKGPNFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Gorgiacerodiol

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0123 0.3586 1
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0839 0.0839
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.1823 0.19
Echinococcus multilocularis FTZ F1 alpha 0.0019 0.0113 0.0113
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0113 0.0084
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0019 0.0113 0.0113
Mycobacterium ulcerans glutaminase 0.0291 0.9161 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0113 0.0113
Mycobacterium tuberculosis Probable aminotransferase 0.0023 0.0252 0.0188
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0058 0.14 0.1433
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0019 0.0113 0.0084
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0023 0.0252 0.0165
Schistosoma mansoni RAR-like nuclear receptor 0.0019 0.0113 0.0012
Echinococcus granulosus carbonic anhydrase 0.0028 0.0421 0.0421
Brugia malayi glutaminase DH11.1 0.0291 0.9161 0.9158
Mycobacterium ulcerans aldehyde dehydrogenase 0.0189 0.579 0.628
Mycobacterium ulcerans L-lysine aminotransferase 0.0258 0.8068 0.8794
Trypanosoma brucei carbonic anhydrase-like protein 0.0123 0.3586 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.0113 0.0084
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0019 0.0113 0.0084
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.0421 0.0394
Mycobacterium ulcerans aldehyde dehydrogenase 0.0189 0.579 0.628
Brugia malayi Steroid receptor seven-up type 2 0.0019 0.0113 0.0084
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0189 0.579 0.579
Onchocerca volvulus Bile acid receptor homolog 0.0019 0.0113 0.5
Echinococcus granulosus succinate semialdehyde dehydrogenase 0.004 0.0831 0.0831
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0023 0.0252 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0019 0.0113 0.0084
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.008 0.2158 0.227
Treponema pallidum hypothetical protein 0.0023 0.0245 0.4689
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0019 0.0113 0.0012
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.0421 0.0394
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0019 0.0113 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0831 0.0831
Echinococcus multilocularis carbonic anhydrase 0.0028 0.0421 0.0421
Loa Loa (eye worm) hypothetical protein 0.0028 0.0421 0.0421
Mycobacterium ulcerans acetylornithine aminotransferase 0.0023 0.0252 0.0165
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0023 0.0252 0.0165
Loa Loa (eye worm) glutaminase 0.0291 0.9161 0.9161
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.0113 0.0084
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0023 0.0252 0.0165
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0028 0.0421 0.0421
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0019 0.0113 0.0113
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0023 0.0252 0.0263
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0019 0.0113 0.0113
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0189 0.579 0.7141
Loa Loa (eye worm) hypothetical protein 0.0019 0.0113 0.0113
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0019 0.0113 0.0012
Echinococcus granulosus carbonic anhydrase 0.0028 0.0421 0.0421
Schistosoma mansoni coup transcription factor 0.0019 0.0113 0.0012
Echinococcus granulosus serine:threonine protein kinase:endoribonuclease 0.0316 1 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.1823 0.1823
Schistosoma mansoni carbonic anhydrase 0.0028 0.0421 0.0353
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0019 0.0113 0.0113
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0033 0.0569 0.0515
Loa Loa (eye worm) IRE protein kinase 0.0316 1 1
Plasmodium falciparum carbonic anhydrase 0.0028 0.0421 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0123 0.3586 0.3846
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0078 0.2093 0.2093
Schistosoma mansoni glutaminase 0.0291 0.9161 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0023 0.0252 0.0188
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0019 0.0113 0.0084
Schistosoma mansoni thyroid hormone receptor 0.0019 0.0113 0.0012
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0023 0.0252 0.0188
Treponema pallidum quinoline 2-oxidoreductase 0.0027 0.0386 0.93
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0023 0.0252 0.0165
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.1823 0.494
Plasmodium vivax ornithine aminotransferase, putative 0.0023 0.0252 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0019 0.0113 0.0084
Onchocerca volvulus 0.0019 0.0113 0.5
Echinococcus multilocularis Aminotransferase class III 0.0023 0.0252 0.0252
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0058 0.14 0.1629
Plasmodium falciparum ornithine aminotransferase 0.0023 0.0252 0.4689
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.1823 0.1823
Echinococcus granulosus FTZ F1 alpha 0.0019 0.0113 0.0113
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0019 0.0113 0.0113
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0023 0.0252 0.5
Toxoplasma gondii hypothetical protein 0.0028 0.0421 0.0562
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.1823 0.494
Mycobacterium ulcerans hypothetical protein 0.0023 0.0252 0.0165
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0023 0.0252 0.0165
Schistosoma mansoni aldehyde dehydrogenase 0.0189 0.579 0.628
Mycobacterium tuberculosis Probable aldehyde dehydrogenase NAD dependent AldA (aldehyde dehydrogenase [NAD+]) 0.004 0.0831 0.0915
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.1823 0.1739
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0102 0.0102
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0028 0.0421 0.0394
Brugia malayi nuclear receptor NHR-88 0.0019 0.0113 0.0084
Echinococcus multilocularis carbonic anhydrase II 0.0123 0.3586 0.3586
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.0113 0.0084
Echinococcus multilocularis carbonic anhydrase 0.0028 0.0421 0.0421
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0123 0.3586 1
Echinococcus multilocularis ornithine aminotransferase 0.0023 0.0252 0.0252
Mycobacterium ulcerans aldehyde dehydrogenase 0.0189 0.579 0.628
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0189 0.579 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0113 0.0113
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0235 0.7311 0.7311
Toxoplasma gondii NADP-dependent succinate-semialdehyde dehydrogenase 0.004 0.0831 0.1281
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 0.004 0.0831 0.0915
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.008 0.2158 0.227
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.0113 0.0084
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0019 0.0113 0.0113
Entamoeba histolytica protein kinase, putative 0.0316 1 1
Brugia malayi ecdysteroid receptor 0.0019 0.0113 0.0084
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0102 0.0073
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0123 0.3586 0.3568
Brugia malayi Succinate semialdehyde dehydrogenase, mitochondrial precursor 0.004 0.0831 0.0804
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0019 0.0113 0.0113
Trichomonas vaginalis xanthine dehydrogenase, putative 0.017 0.5152 0.5575
Echinococcus granulosus carbonic anhydrase 0.0028 0.0421 0.0421
Trichomonas vaginalis conserved hypothetical protein 0.0161 0.4844 0.5235
Echinococcus multilocularis ecdysone induced protein 78C 0.0019 0.0113 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0019 0.0113 0.0084
Echinococcus multilocularis carbonic anhydrase 0.0028 0.0421 0.0421
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0019 0.0113 0.0113
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0123 0.3586 0.3586
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0019 0.0113 0.0113
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0023 0.0252 0.0188
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (small chain) 0.0033 0.0569 0.0586
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0019 0.0113 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.0113 0.0084
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.1823 0.1799
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0019 0.0113 0.0113
Trichomonas vaginalis xanthine dehydrogenase, putative 0.017 0.5152 0.5575
Toxoplasma gondii aldehyde dehydrogenase 0.0189 0.579 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0113 0.0113
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0033 0.0569 0.0515
Loa Loa (eye worm) steroid hormone receptor 0.0019 0.0113 0.0113
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.004 0.0831 0.2092
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0839 0.0839
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0102 0.5
Trichomonas vaginalis serine threonine-protein kinase, putative 0.0161 0.4844 0.5235
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0019 0.0113 0.0113
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0019 0.0113 0.0012
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0113 0.0113
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0102 0.0102
Echinococcus multilocularis thyroid hormone receptor alpha 0.0019 0.0113 0.0113
Entamoeba histolytica protein kinase, putative 0.0316 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0019 0.0113 0.0012
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.1823 0.1823
Schistosoma mansoni aldehyde dehydrogenase 0.0189 0.579 0.628
Trichomonas vaginalis glutaminase, putative 0.0291 0.9161 1
Schistosoma mansoni nuclear hormone receptor 0.0019 0.0113 0.0012
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.0421 0.0353
Schistosoma mansoni thyroid hormone receptor 0.0019 0.0113 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0019 0.0113 0.0084
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.008 0.2158 0.2581
Loa Loa (eye worm) hypothetical protein 0.0028 0.0421 0.0421
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0019 0.0113 0.0113
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0023 0.0252 0.0188
Echinococcus granulosus carbonic anhydrase II 0.0123 0.3586 0.3586
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0019 0.0113 0.0012
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0028 0.0421 0.0394
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.004 0.0831 0.0831
Mycobacterium ulcerans hypothetical protein 0.0028 0.0408 0.0338
Loa Loa (eye worm) glutaminase 2 0.0291 0.9161 0.9161
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0123 0.3586 0.3846
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.007 0.1823 0.3026
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0019 0.0113 0.0012
Onchocerca volvulus Protein ultraspiracle homolog 0.0019 0.0113 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0113 0.0113
Echinococcus granulosus ornithine aminotransferase 0.0023 0.0252 0.0252
Echinococcus multilocularis ornithine aminotransferase 0.0023 0.0252 0.0252
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0113 0.0113
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0189 0.579 0.579
Leishmania major aldehyde dehydrogenase, putative 0.004 0.0831 0.1281
Schistosoma mansoni retinoic acid receptor RXR 0.0019 0.0113 0.0012
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0019 0.0113 0.0113
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.0421 0.0353
Loa Loa (eye worm) hypothetical protein 0.004 0.0831 0.0831
Schistosoma mansoni serine/threonine protein kinase 0.0162 0.4877 0.5271
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0019 0.0113 0.0084
Mycobacterium ulcerans NAD-dependent aldehyde dehydrogenase AldA 0.004 0.0831 0.0805
Treponema pallidum hypothetical protein 0.0028 0.0408 1
Brugia malayi steroid hormone receptor 0.0019 0.0113 0.0084
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0113 0.0113
Brugia malayi nuclear hormone receptor 0.0019 0.0113 0.0084
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0258 0.8068 1
Leishmania major carbonic anhydrase-like protein 0.0123 0.3586 0.6125
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.1823 0.494
Echinococcus granulosus Aminotransferase class III 0.0023 0.0252 0.0252
Brugia malayi follicle stimulating hormone receptor 0.0235 0.7311 0.7303
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.004 0.0831 0.0831
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.0421 0.0353
Loa Loa (eye worm) hypothetical protein 0.0019 0.0113 0.0113
Schistosoma mansoni succinate semialdehyde dehydrogenase 0.004 0.0831 0.0805
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.005 0.1166 0.1175
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0058 0.14 0.1433
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0123 0.3586 0.3568
Mycobacterium leprae PROBABLE SUCCINATE-SEMIALDEHYDE DEHYDROGENASE [NADP+] DEPENDENT (SSDH) GABD 0.004 0.0831 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0113 0.0113
Loa Loa (eye worm) carbonic anhydrase 3 0.0123 0.3586 0.3586
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0023 0.0252 0.0165
Schistosoma mansoni hypothetical protein 0.0028 0.0421 0.0353
Mycobacterium ulcerans NAD-dependent aldehyde dehydrogenase AldA 0.004 0.0831 0.0805
Trichomonas vaginalis aldehyde oxidase, putative 0.017 0.5152 0.5575
Echinococcus granulosus nuclear factor of activated T cells 5 0.0078 0.2093 0.2093
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.0421 0.0394
Loa Loa (eye worm) hypothetical protein 0.0028 0.0421 0.0421
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0258 0.8068 0.8063
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0113 0.0012
Echinococcus granulosus ecdysone induced protein 78C 0.0019 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0019 0.0113 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.0113 0.0084
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0113 0.324 0.3464
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0019 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0019 0.0113 0.0113
Trypanosoma brucei aldehyde dehydrogenase, putative 0.004 0.0831 0.2092
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0102 0.0102
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0019 0.0113 0.0113
Mycobacterium ulcerans succinate-semialdehyde dehydrogenase 0.004 0.0831 0.0805
Echinococcus multilocularis serine:threonine protein kinase:endoribonuclease 0.0316 1 1
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0023 0.0252 0.0165

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.744 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.215 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.184 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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